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(E)-5-hydroxy-5-(2-thienyl)-4-tosylpent-3-en-2-one dimethyl ketal
SpectraBase Compound ID LqX4GTeb5XK
InChI InChI=1S/C18H22O5S2/c1-13-7-9-14(10-8-13)25(20,21)16(12-18(2,22-3)23-4)17(19)15-6-5-11-24-15/h5-12,17,19H,1-4H3/b16-12+
InChIKey KBCUWNWWCSNHEY-FOWTUZBSSA-N
Mol Weight 382.49 g/mol
Molecular Formula C18H22O5S2
Exact Mass 382.090866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSpDwyw2fW
Name (E)-5-hydroxy-5-(2-thienyl)-4-tosylpent-3-en-2-one dimethyl ketal
Alternate Name(s) (2E)-4,4-dimethoxy-2-[(4-methylphenyl)sulfonyl]-1-(2-thienyl)-2-penten-1-ol
CAS Registry Number 115563-01-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O5S2
InChI InChI=1S/C18H22O5S2/c1-13-7-9-14(10-8-13)25(20,21)16(12-18(2,22-3)23-4)17(19)15-6-5-11-24-15/h5-12,17,19H,1-4H3/b16-12+
InChIKey KBCUWNWWCSNHEY-FOWTUZBSSA-N
Molecular Weight 382.489 g/mol
SMILES OC(\C(S(c1ccc(cc1)C)(=O)=O)=C/C(OC)(OC)C)c1sccc1
SPLASH splash10-03dr-6902000000-004dc6d55b2b62da345c
Source of Spectrum J-53-4713-17
Wiley ID 1360430